4XJR

The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Hemagglutinin-neuraminidase	polymer	454	50903.6	2	UniProt (G8G134) Pfam (PF00423) UniProt (by SIFTS) (P08492) In PDB	Human parainfluenza virus 3
2	C	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	D	beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G44266EX)
4	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
7	A, B	(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid	non-polymer		363.3	2	Chemie (OEL)
8	B	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
9		water	water		18.0	5	Chemie (HOH)

Sequence modifications

A, B: 125 - 572 (UniProt: G8G134)

PDB	External Database	Details
His 573	-	expression tag
His 574	-	expression tag
His 575	-	expression tag
His 576	-	expression tag
His 577	-	expression tag
His 578	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	101807.3
Branched	Number of molecules	2
	Total formula weight	1010.9
Non-Polymers*	Number of molecules	8
	Total formula weight	1407.3
All*	Total formula weight	104225.6

*Water molecules are not included.